5SYN

Cocrystal structure of the human acyl protein thioesterase 2 with an isoform-selective inhibitor, ML349

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Acyl-protein thioesterase 2	polymer	231	24765.0	4	UniProt (O95372) Pfam (PF02230)	Homo sapiens (Human)	APT-2,Lysophospholipase II,LysoPLA II
2	E, G, L, N (A, B, C, D)	2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione	non-polymer		454.6	4	Chemie (71T)
3	F, H, I, J, K... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	O, P, Q, R (A, B, C, D)	water	water		18.0	310	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	99059.8
Non-Polymers*	Number of molecules	10
	Total formula weight	2190.7
All*	Total formula weight	101250.5

*Water molecules are not included.